N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

C15H23N3O4S — CID 53170604

IUPACN-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCCC(C)NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O4S/c1-3-12(2)16-14(19)11-17-10-13(6-7-15(17)20)23(21,22)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,19)
InChIKeyHUEPTMNXYPBALP-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.55
Rot. Bonds6

About N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide

N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (PubChem CID 53170604) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
PubChem CID53170604
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
SMILESCCC(C)NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O4S/c1-3-12(2)16-14(19)11-17-10-13(6-7-15(17)20)23(21,22)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,19)
InChIKeyHUEPTMNXYPBALP-UHFFFAOYSA-N
XLogP0.55
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-thiophen-2-ylpropyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571411
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 24622588
N-(4-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170608
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
N-(2-ethylphenyl)-2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170607
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
N-(4-chlorophenyl)-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992765
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
N-[(4-chlorophenyl)methyl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992671
2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8639413

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide (CID 53170604) is N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is CCC(C)NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O.
What is the InChIKey of N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
The InChIKey is HUEPTMNXYPBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-3-12(2)16-14(19)11-17-10-13(6-7-15(17)20)23(21,22)18-8-4-5-9-18/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide?
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide is sourced from PubChem (CID 53170604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).